2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethanoylphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethanoylphenyl)ethanamide Openeye Name: N-(2-acetylphenyl)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-acetylphenyl)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-acetylphenyl)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-acetylphenyl)-2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H25N5O2S/c1-14(28)17-7-5-6-8-18(17)24-19(29)13-30-21-26-25-20(27(21)23)15-9-11-16(12-10-15)22(2,3)4/h5-12H,13,23H2,1-4H3,(H,24,29)